- InChI
- InChI=1S/C18H20O2/c1-2-8-16-11-6-7-12-17(16)20-18(19)14-13-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3
- InChI Key
- WLXZDNQBLSQFQD-UHFFFAOYSA-N
- Formula
- C18H20O2
- SMILES
- CCCc1ccccc1OC(=O)CCc1ccccc1
- Molecular Weight1
- 268.35
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7187 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.177 | Crippen Calculated Property | |
| McVol | 224.400 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 619.32 | K | Relay (1.0) Calculated Property |
| Tc | 858.58 | K | Relay (1.0) Calculated Property |
| Tfus | 285.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.826 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.61; 703.36] | J/mol×K | [728.00; 951.86] |
|
| Cp,gas | 620.61 | J/mol×K | 728.00 | Joback Calculated Property |
| Cp,gas | 637.43 | J/mol×K | 765.31 | Joback Calculated Property |
| Cp,gas | 652.97 | J/mol×K | 802.62 | Joback Calculated Property |
| Cp,gas | 667.28 | J/mol×K | 839.93 | Joback Calculated Property |
| Cp,gas | 680.41 | J/mol×K | 877.24 | Joback Calculated Property |
| Cp,gas | 692.42 | J/mol×K | 914.55 | Joback Calculated Property |
| Cp,gas | 703.36 | J/mol×K | 951.86 | Joback Calculated Property |
| η | [0.0000860; 0.0012930] | Pa×s | [400.31; 728.00] |
|
| η | 0.0012930 | Pa×s | 400.31 | Joback Calculated Property |
| η | 0.0006275 | Pa×s | 454.93 | Joback Calculated Property |
| η | 0.0003556 | Pa×s | 509.54 | Joback Calculated Property |
| η | 0.0002249 | Pa×s | 564.15 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 618.77 | Joback Calculated Property |
| η | 0.0001125 | Pa×s | 673.38 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 728.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 2-propylphenyl ester.
Sources
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